Geometry & MOs

Info

ID:	25352
PubChem CID:	623493
Reduced:	NSO4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	444.327101
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	2.17
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nonanoyloxy-2-trimethylsilyloxypropyl) nonanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)OC=O)C(=O)C(=CO2)C3=CSC(=N3)C

DOS

IR

Vibrations